Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3811723 | 0.96 | CYP2D6 (0.42) | CYP2D6EPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3255903 | 0.87 | CYP2D6 (0.42) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL916025 | 0.84 | KMT2A (0.51) | CYP2D6KDM4EPOLB | |
| SCHEMBL916023 | 0.84 | KMT2A (0.51) | CYP2D6KDM4EPOLB | |
| Acetic Acid SCHEMBL1727793 | 0.84 | CYP2D6 (0.42) | CYP2D6EPHX1CA12CA1CA2 | |
| Acetic Acid SCHEMBL3809050 | 0.82 | CYP2D6 (0.45) | CYP2D6EPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3254172 | 0.81 | CTSK (0.44) | CYP2D6EPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3253206 | 0.81 | CTSK (0.44) | CYP2D6EPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3256781 | 0.81 | CTSK (0.44) | CYP2D6EPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3254944 | 0.81 | CYP2D6 (0.42) | CYP2D6EPHX1CA12CA1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919859-B1 | ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID AND USE | XENOPORT INC (US) | 2010-06-02 | — | — | EP | claimed |